Project name: LC1_2_AE76A

Chain sequence(s)	A: SEAKERASDLKAEAAARALAIIDAARAAVAAADPALRPLALAASGEAASAIALGMQEGLEVGVERVREVAERAPPEMAAALREAARLLEEAGRRVEELL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -4.9213
• Maximal score value: 0.6069
• Average score: -1.4495
• Total score value: -143.5047

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	S	A	-2.2326
2	E	A	-3.4963
3	A	A	-2.7702
4	K	A	-3.6557
5	E	A	-4.7965
6	R	A	-4.2292
7	A	A	0.0000
8	S	A	-3.2439
9	D	A	-3.8567
10	L	A	0.0000
11	K	A	-2.5277
12	A	A	-2.0014
13	E	A	-2.7279
14	A	A	0.0000
15	A	A	0.0000
16	A	A	-1.0719
17	R	A	-1.8694
18	A	A	0.0000
19	L	A	-0.1504
20	A	A	-0.4302
21	I	A	-0.2026
22	I	A	0.0000
23	D	A	-1.1250
24	A	A	-0.4062
25	A	A	-0.6723
26	R	A	-0.8377
27	A	A	-0.4582
28	A	A	-0.7695
29	V	A	0.0000
30	A	A	-0.5444
31	A	A	-0.4175
32	A	A	-0.5599
33	D	A	-1.1659
34	P	A	-0.8719
35	A	A	-0.4204
36	L	A	-0.1574
37	R	A	-0.7458
38	P	A	0.1258
39	L	A	0.6069
40	A	A	0.0000
41	L	A	0.4197
42	A	A	0.0153
43	A	A	0.0000
44	S	A	0.0000
45	G	A	-1.1168
46	E	A	-2.2934
47	A	A	0.0000
48	A	A	-0.7341
49	S	A	-1.0023
50	A	A	0.0000
51	I	A	0.0000
52	A	A	-0.4495
53	L	A	-0.8283
54	G	A	0.0000
55	M	A	-0.9399
56	Q	A	-1.7873
57	E	A	-2.4129
58	G	A	-1.5981
59	L	A	0.0000
60	E	A	-3.2653
61	V	A	-1.9534
62	G	A	0.0000
63	V	A	0.0000
64	E	A	-3.9263
65	R	A	-3.7995
66	V	A	0.0000
67	R	A	-4.6892
68	E	A	-4.6844
69	V	A	-3.5320
70	A	A	0.0000
71	E	A	-3.7958
72	R	A	-3.1076
73	A	A	-1.6652
74	P	A	0.0000
75	P	A	-1.5053
76	E	A	-1.8200
77	M	A	0.0000
78	A	A	-2.2500
79	A	A	-1.5587
80	A	A	0.0000
81	L	A	0.0000
82	R	A	-3.3083
83	E	A	-2.2909
84	A	A	0.0000
85	A	A	0.0000
86	R	A	-3.6021
87	L	A	-2.6673
88	L	A	0.0000
89	E	A	-4.3974
90	E	A	-4.3368
91	A	A	0.0000
92	G	A	-3.9257
93	R	A	-4.9213
94	R	A	-4.2471
95	V	A	0.0000
96	E	A	-3.3611
97	E	A	-2.9791
98	L	A	-1.4543
99	L	A	-0.0510